REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1g65_1_R DATA FIRST_RESID 9 DATA SEQUENCE DRGVSTFSPE GRLFQVEYSL EAIKLGSTAI GIATKEGVVL GVEKRATSPL DATA SEQUENCE LESDSIEKIV EIDRHIGCAM SGLTADARSM IEHARTAAVT HNLYYDEDIN DATA SEQUENCE VESLTQSVCD LALREXERLM SRPFGVALLI AGHDADGYQL FHAEPSGTFY DATA SEQUENCE RYNAKAIGSG SEGAQAELLN EWHSSLTLKE AELLVLKILK QVMEXXEKLD DATA SEQUENCE NAQLSCITKQ DGFKIYDNEK TAELIXKELK EKEAAE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 D HA 0.000 nan 4.640 nan 0.000 0.175 9 D C 0.000 176.297 176.300 -0.006 0.000 2.045 9 D CA 0.000 53.992 54.000 -0.012 0.000 0.868 9 D CB 0.000 40.792 40.800 -0.013 0.000 0.688 10 R N -0.373 120.122 120.500 -0.008 0.000 2.888 10 R HA 0.710 5.050 4.340 -0.000 0.000 0.266 10 R C 0.539 176.842 176.300 0.005 0.000 1.020 10 R CA -0.820 55.285 56.100 0.008 0.000 0.963 10 R CB 1.173 31.489 30.300 0.027 0.000 1.197 10 R HN 0.317 nan 8.270 nan 0.000 0.481 11 G N -0.338 108.468 108.800 0.011 0.000 2.750 11 G HA2 0.124 4.084 3.960 -0.000 0.000 0.250 11 G HA3 0.124 4.084 3.960 -0.000 0.000 0.250 11 G C 0.875 175.769 174.900 -0.010 0.000 1.230 11 G CA -0.057 45.041 45.100 -0.003 0.000 0.883 11 G HN 0.455 nan 8.290 nan 0.000 0.573 12 V N -2.476 117.419 119.914 -0.031 0.000 3.608 12 V HA 0.181 4.301 4.120 -0.000 0.000 0.269 12 V C 1.459 177.503 176.094 -0.084 0.000 1.245 12 V CA 1.256 63.529 62.300 -0.046 0.000 1.138 12 V CB 0.094 31.887 31.823 -0.051 0.000 0.841 12 V HN 0.714 nan 8.190 nan 0.000 0.451 13 S N 0.061 115.699 115.700 -0.104 0.000 2.581 13 S HA 0.322 4.792 4.470 -0.000 0.000 0.245 13 S C 0.355 174.800 174.600 -0.259 0.000 1.115 13 S CA -0.173 57.909 58.200 -0.197 0.000 1.093 13 S CB -0.506 62.589 63.200 -0.175 0.000 0.853 13 S HN 0.546 nan 8.310 nan 0.000 0.479 14 T N 1.888 116.359 114.554 -0.139 0.000 2.889 14 T HA 0.539 4.889 4.350 -0.000 0.000 0.291 14 T C -0.475 174.091 174.700 -0.224 0.000 0.995 14 T CA -0.297 61.761 62.100 -0.071 0.000 1.092 14 T CB 0.334 69.288 68.868 0.144 0.000 0.954 14 T HN 0.249 nan 8.240 nan 0.000 0.506 15 F N 2.289 122.156 119.950 -0.140 0.000 2.394 15 F HA 0.397 4.924 4.527 -0.000 0.000 0.340 15 F C 1.427 176.961 175.800 -0.443 0.000 1.105 15 F CA -0.711 57.114 58.000 -0.292 0.000 1.124 15 F CB 1.001 39.899 39.000 -0.171 0.000 1.145 15 F HN 0.672 nan 8.300 nan 0.000 0.505 16 S N 2.995 118.339 115.700 -0.593 0.000 2.624 16 S HA 0.290 4.760 4.470 -0.000 0.000 0.263 16 S C -2.020 172.489 174.600 -0.153 0.000 1.287 16 S CA -1.042 56.788 58.200 -0.616 0.000 0.990 16 S CB 0.990 63.719 63.200 -0.785 0.000 0.950 16 S HN 0.410 nan 8.310 nan 0.000 0.561 17 P HA 0.099 nan 4.420 nan 0.000 0.234 17 P C 0.208 177.489 177.300 -0.032 0.000 1.167 17 P CA 0.701 63.795 63.100 -0.010 0.000 0.763 17 P CB 0.001 31.721 31.700 0.034 0.000 0.835 18 E N -1.284 118.887 120.200 -0.047 0.000 2.481 18 E HA 0.308 4.658 4.350 -0.000 0.000 0.198 18 E C 0.998 177.563 176.600 -0.058 0.000 1.027 18 E CA 0.187 56.564 56.400 -0.038 0.000 0.900 18 E CB -0.532 29.159 29.700 -0.015 0.000 0.993 18 E HN 0.026 nan 8.360 nan 0.000 0.482 19 G N 1.606 110.357 108.800 -0.082 0.000 2.341 19 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.278 19 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.278 19 G C -0.252 174.656 174.900 0.013 0.000 1.111 19 G CA 0.055 45.099 45.100 -0.093 0.000 0.982 19 G HN 0.116 nan 8.290 nan 0.000 0.502 20 R N -1.265 119.264 120.500 0.049 0.000 2.739 20 R HA 0.548 4.888 4.340 -0.000 0.000 0.271 20 R C -0.412 175.822 176.300 -0.110 0.000 1.010 20 R CA -1.117 54.996 56.100 0.023 0.000 0.897 20 R CB 1.390 31.660 30.300 -0.050 0.000 1.236 20 R HN 0.141 nan 8.270 nan 0.000 0.466 21 L N 2.971 124.098 121.223 -0.160 0.000 2.261 21 L HA 0.266 4.606 4.340 -0.000 0.000 0.289 21 L C 1.110 177.817 176.870 -0.272 0.000 1.059 21 L CA -0.151 54.492 54.840 -0.328 0.000 0.816 21 L CB 0.270 42.137 42.059 -0.319 0.000 1.191 21 L HN 0.654 nan 8.230 nan 0.000 0.431 22 F N 0.802 120.558 119.950 -0.323 0.000 2.037 22 F HA -0.365 4.162 4.527 -0.000 0.000 0.296 22 F C 2.413 177.747 175.800 -0.778 0.000 1.132 22 F CA 1.332 58.957 58.000 -0.624 0.000 1.211 22 F CB -0.114 38.511 39.000 -0.626 0.000 0.951 22 F HN 0.617 nan 8.300 nan 0.000 0.503 23 Q N 0.187 119.814 119.800 -0.288 0.000 2.217 23 Q HA -0.191 4.149 4.340 -0.000 0.000 0.209 23 Q C 2.370 178.327 176.000 -0.072 0.000 0.988 23 Q CA 1.566 57.270 55.803 -0.165 0.000 0.878 23 Q CB -0.834 27.852 28.738 -0.086 0.000 0.909 23 Q HN 0.373 nan 8.270 nan 0.000 0.424 24 V N 1.160 121.019 119.914 -0.091 0.000 2.283 24 V HA -0.201 3.919 4.120 -0.000 0.000 0.243 24 V C 2.253 178.368 176.094 0.035 0.000 1.039 24 V CA 1.605 63.891 62.300 -0.023 0.000 1.016 24 V CB -0.423 31.377 31.823 -0.039 0.000 0.650 24 V HN 0.249 nan 8.190 nan 0.000 0.449 25 E N -0.218 119.993 120.200 0.019 0.000 2.058 25 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 25 E C 2.242 179.005 176.600 0.272 0.000 0.997 25 E CA 1.551 58.028 56.400 0.128 0.000 0.801 25 E CB -0.577 29.213 29.700 0.150 0.000 0.746 25 E HN 0.632 nan 8.360 nan 0.000 0.450 26 Y N 1.731 122.083 120.300 0.087 0.000 2.114 26 Y HA -0.197 4.353 4.550 -0.000 0.000 0.282 26 Y C 2.798 178.727 175.900 0.048 0.000 1.165 26 Y CA 1.198 59.335 58.100 0.061 0.000 1.148 26 Y CB -1.478 37.012 38.460 0.050 0.000 0.972 26 Y HN 0.091 nan 8.280 nan 0.000 0.504 27 S N -0.216 115.613 115.700 0.215 0.000 2.368 27 S HA -0.160 4.310 4.470 -0.000 0.000 0.225 27 S C 2.053 176.728 174.600 0.124 0.000 1.030 27 S CA 1.073 59.357 58.200 0.139 0.000 0.999 27 S CB -0.988 62.276 63.200 0.107 0.000 0.844 27 S HN 0.243 nan 8.310 nan 0.000 0.459 28 L N 1.855 123.155 121.223 0.128 0.000 2.187 28 L HA -0.021 4.319 4.340 -0.000 0.000 0.213 28 L C 2.710 179.641 176.870 0.102 0.000 1.100 28 L CA 1.569 56.478 54.840 0.114 0.000 0.765 28 L CB -0.743 41.384 42.059 0.112 0.000 0.904 28 L HN 0.268 nan 8.230 nan 0.000 0.437 29 E N -0.753 119.514 120.200 0.111 0.000 2.028 29 E HA -0.105 4.245 4.350 -0.000 0.000 0.190 29 E C 2.291 178.925 176.600 0.057 0.000 0.984 29 E CA 1.242 57.689 56.400 0.077 0.000 0.800 29 E CB -0.435 29.305 29.700 0.066 0.000 0.758 29 E HN 0.445 nan 8.360 nan 0.000 0.448 30 A N 1.247 124.105 122.820 0.063 0.000 1.986 30 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 30 A C 2.295 179.909 177.584 0.050 0.000 1.171 30 A CA 1.296 53.363 52.037 0.049 0.000 0.640 30 A CB -0.776 18.259 19.000 0.058 0.000 0.811 30 A HN 0.220 nan 8.150 nan 0.000 0.451 31 I N -0.825 119.783 120.570 0.064 0.000 2.493 31 I HA -0.222 3.948 4.170 -0.000 0.000 0.254 31 I C 2.172 178.316 176.117 0.045 0.000 1.160 31 I CA 1.228 62.566 61.300 0.063 0.000 1.445 31 I CB -0.181 37.870 38.000 0.086 0.000 1.086 31 I HN 0.279 nan 8.210 nan 0.000 0.433 32 K N 0.815 121.239 120.400 0.040 0.000 2.283 32 K HA -0.056 4.264 4.320 -0.000 0.000 0.202 32 K C 1.607 178.216 176.600 0.014 0.000 1.048 32 K CA 1.005 57.306 56.287 0.023 0.000 0.948 32 K CB -0.059 32.454 32.500 0.023 0.000 0.742 32 K HN 0.391 nan 8.250 nan 0.000 0.458 33 L N -0.099 121.134 121.223 0.017 0.000 2.591 33 L HA 0.152 4.492 4.340 -0.000 0.000 0.228 33 L C 1.198 178.075 176.870 0.010 0.000 1.133 33 L CA -0.514 54.332 54.840 0.010 0.000 0.880 33 L CB -0.420 41.646 42.059 0.010 0.000 1.033 33 L HN 0.000 nan 8.230 nan 0.000 0.450 34 G N -0.019 108.789 108.800 0.013 0.000 2.562 34 G HA2 0.320 4.280 3.960 -0.000 0.000 0.275 34 G HA3 0.320 4.280 3.960 -0.000 0.000 0.275 34 G C -0.079 174.823 174.900 0.004 0.000 1.196 34 G CA -0.342 44.765 45.100 0.012 0.000 0.908 34 G HN 0.138 nan 8.290 nan 0.000 0.524 35 S N -0.280 115.422 115.700 0.004 0.000 2.560 35 S HA 0.244 4.714 4.470 -0.000 0.000 0.284 35 S C 0.744 175.340 174.600 -0.007 0.000 1.327 35 S CA -0.312 57.887 58.200 -0.001 0.000 1.055 35 S CB 0.771 63.972 63.200 0.001 0.000 0.868 35 S HN 0.674 nan 8.310 nan 0.000 0.506 36 T N 2.410 116.955 114.554 -0.014 0.000 2.926 36 T HA 0.481 4.831 4.350 -0.000 0.000 0.307 36 T C 0.139 174.824 174.700 -0.025 0.000 1.059 36 T CA -0.342 61.743 62.100 -0.026 0.000 1.122 36 T CB 0.538 69.388 68.868 -0.030 0.000 0.972 36 T HN 0.802 nan 8.240 nan 0.000 0.545 37 A N 2.737 125.535 122.820 -0.036 0.000 2.408 37 A HA 0.754 5.074 4.320 -0.000 0.000 0.295 37 A C -0.825 176.725 177.584 -0.057 0.000 1.040 37 A CA -0.792 51.225 52.037 -0.033 0.000 0.707 37 A CB 0.952 19.942 19.000 -0.015 0.000 1.235 37 A HN 0.802 nan 8.150 nan 0.000 0.418 38 I N 1.409 121.948 120.570 -0.053 0.000 2.647 38 I HA 0.713 4.883 4.170 -0.000 0.000 0.295 38 I C 0.405 176.491 176.117 -0.052 0.000 1.078 38 I CA -0.749 60.510 61.300 -0.068 0.000 1.048 38 I CB 2.775 40.740 38.000 -0.059 0.000 1.239 38 I HN 0.763 nan 8.210 nan 0.000 0.421 39 G N 5.833 114.599 108.800 -0.057 0.000 2.662 39 G HA2 0.817 4.777 3.960 -0.000 0.000 0.302 39 G HA3 0.817 4.777 3.960 -0.000 0.000 0.302 39 G C -1.290 173.594 174.900 -0.026 0.000 1.389 39 G CA -0.388 44.696 45.100 -0.026 0.000 0.998 39 G HN 0.450 nan 8.290 nan 0.000 0.502 40 I N 0.851 121.422 120.570 0.003 0.000 2.647 40 I HA 0.639 4.809 4.170 -0.000 0.000 0.295 40 I C 0.041 176.194 176.117 0.060 0.000 1.078 40 I CA -1.155 60.169 61.300 0.041 0.000 1.048 40 I CB 2.592 40.645 38.000 0.089 0.000 1.239 40 I HN 0.588 nan 8.210 nan 0.000 0.421 41 A N 3.654 126.533 122.820 0.099 0.000 2.285 41 A HA 0.752 5.072 4.320 -0.000 0.000 0.310 41 A C -0.163 177.535 177.584 0.190 0.000 1.266 41 A CA -0.444 51.661 52.037 0.113 0.000 0.832 41 A CB 0.820 19.877 19.000 0.095 0.000 1.163 41 A HN 0.753 nan 8.150 nan 0.000 0.499 42 T N -0.746 113.839 114.554 0.051 0.000 2.940 42 T HA 0.446 4.796 4.350 -0.000 0.000 0.288 42 T C 0.493 175.162 174.700 -0.052 0.000 1.045 42 T CA -0.698 61.414 62.100 0.019 0.000 1.018 42 T CB 1.194 70.018 68.868 -0.072 0.000 1.151 42 T HN 0.433 nan 8.240 nan 0.000 0.529 43 K N 0.124 120.530 120.400 0.011 0.000 2.616 43 K HA 0.055 4.374 4.320 -0.000 0.000 0.192 43 K C 0.973 177.587 176.600 0.024 0.000 1.031 43 K CA 0.756 57.103 56.287 0.100 0.000 1.004 43 K CB 0.038 32.594 32.500 0.094 0.000 0.810 43 K HN 0.633 nan 8.250 nan 0.000 0.497 44 E N -0.420 119.648 120.200 -0.220 0.000 2.641 44 E HA 0.145 4.495 4.350 -0.000 0.000 0.224 44 E C 0.267 176.536 176.600 -0.552 0.000 0.951 44 E CA -0.317 55.944 56.400 -0.231 0.000 1.102 44 E CB 1.406 31.035 29.700 -0.119 0.000 1.091 44 E HN 0.301 nan 8.360 nan 0.000 0.507 45 G N 0.180 108.298 108.800 -1.136 0.000 2.369 45 G HA2 0.106 4.066 3.960 -0.000 0.000 0.293 45 G HA3 0.106 4.066 3.960 -0.000 0.000 0.293 45 G C -1.691 172.903 174.900 -0.510 0.000 1.301 45 G CA -0.841 43.634 45.100 -1.043 0.000 0.913 45 G HN -0.036 nan 8.290 nan 0.000 0.540 46 V N -0.182 119.630 119.914 -0.170 0.000 2.638 46 V HA 0.682 4.802 4.120 -0.000 0.000 0.306 46 V C 0.044 176.131 176.094 -0.012 0.000 1.052 46 V CA -0.706 61.584 62.300 -0.017 0.000 0.885 46 V CB 1.671 33.565 31.823 0.119 0.000 0.999 46 V HN 0.878 nan 8.190 nan 0.000 0.424 47 V N 5.515 125.411 119.914 -0.031 0.000 2.547 47 V HA 0.612 4.731 4.120 -0.000 0.000 0.299 47 V C -0.708 175.356 176.094 -0.050 0.000 1.040 47 V CA -0.701 61.549 62.300 -0.084 0.000 0.913 47 V CB 1.764 33.522 31.823 -0.108 0.000 0.992 47 V HN 0.576 nan 8.190 nan 0.000 0.449 48 L N 3.268 124.444 121.223 -0.080 0.000 2.439 48 L HA 0.863 5.203 4.340 -0.000 0.000 0.270 48 L C 0.162 176.981 176.870 -0.085 0.000 0.972 48 L CA 0.234 55.056 54.840 -0.029 0.000 0.836 48 L CB 1.684 43.780 42.059 0.062 0.000 1.255 48 L HN 0.830 nan 8.230 nan 0.000 0.404 49 G N 2.472 111.231 108.800 -0.069 0.000 2.563 49 G HA2 0.752 4.712 3.960 -0.000 0.000 0.302 49 G HA3 0.752 4.712 3.960 -0.000 0.000 0.302 49 G C -1.473 173.402 174.900 -0.041 0.000 1.301 49 G CA -0.402 44.652 45.100 -0.078 0.000 0.965 49 G HN 0.741 nan 8.290 nan 0.000 0.480 50 V N -1.635 118.260 119.914 -0.031 0.000 3.206 50 V HA 0.796 4.916 4.120 -0.000 0.000 0.305 50 V C -0.828 175.258 176.094 -0.014 0.000 1.257 50 V CA -1.170 61.120 62.300 -0.017 0.000 1.057 50 V CB 2.029 33.850 31.823 -0.002 0.000 1.075 50 V HN 0.854 nan 8.190 nan 0.000 0.443 51 E N 1.190 121.384 120.200 -0.010 0.000 2.081 51 E HA 0.365 4.715 4.350 -0.000 0.000 0.276 51 E C 0.182 176.782 176.600 -0.000 0.000 0.950 51 E CA -0.632 55.764 56.400 -0.006 0.000 0.776 51 E CB 1.783 31.478 29.700 -0.008 0.000 1.094 51 E HN 0.703 nan 8.360 nan 0.000 0.402 52 K N 2.644 123.045 120.400 0.002 0.000 1.987 52 K HA -0.160 4.160 4.320 -0.000 0.000 0.216 52 K C 0.408 177.012 176.600 0.006 0.000 1.051 52 K CA 1.619 57.910 56.287 0.006 0.000 0.942 52 K CB -0.157 32.348 32.500 0.008 0.000 0.722 52 K HN 0.676 nan 8.250 nan 0.000 0.444 53 R N -0.820 119.683 120.500 0.004 0.000 3.022 53 R HA -0.154 4.186 4.340 -0.000 0.000 0.268 53 R C -1.358 174.945 176.300 0.005 0.000 0.964 53 R CA 0.140 56.242 56.100 0.004 0.000 0.653 53 R CB -1.776 28.526 30.300 0.003 0.000 1.382 53 R HN 0.318 nan 8.270 nan 0.000 0.428 54 A N 1.701 124.524 122.820 0.005 0.000 2.488 54 A HA 0.227 4.547 4.320 -0.000 0.000 0.249 54 A C 1.406 178.993 177.584 0.005 0.000 1.083 54 A CA 0.527 52.568 52.037 0.006 0.000 0.768 54 A CB 0.495 19.499 19.000 0.006 0.000 1.017 54 A HN 0.662 nan 8.150 nan 0.000 0.496 55 T N -0.706 113.852 114.554 0.005 0.000 3.278 55 T HA 0.429 4.779 4.350 -0.000 0.000 0.251 55 T C 0.256 174.958 174.700 0.004 0.000 1.039 55 T CA 0.372 62.474 62.100 0.004 0.000 0.935 55 T CB -0.634 68.237 68.868 0.005 0.000 1.034 55 T HN 1.408 nan 8.240 nan 0.000 0.575 56 S N 1.068 116.770 115.700 0.004 0.000 2.675 56 S HA 0.349 4.819 4.470 -0.000 0.000 0.297 56 S C -2.621 171.982 174.600 0.004 0.000 1.035 56 S CA -0.794 57.408 58.200 0.004 0.000 0.852 56 S CB 1.480 64.682 63.200 0.004 0.000 1.051 56 S HN 0.005 nan 8.310 nan 0.000 0.451 57 P HA 0.121 nan 4.420 nan 0.000 0.233 57 P C 1.185 178.488 177.300 0.005 0.000 1.167 57 P CA 0.423 63.526 63.100 0.004 0.000 0.770 57 P CB 0.054 31.756 31.700 0.003 0.000 0.837 58 L N -1.040 120.186 121.223 0.005 0.000 2.509 58 L HA 0.106 4.446 4.340 -0.000 0.000 0.222 58 L C 1.408 178.282 176.870 0.006 0.000 1.123 58 L CA -0.131 54.712 54.840 0.005 0.000 0.856 58 L CB -0.147 41.915 42.059 0.005 0.000 0.985 58 L HN 0.049 nan 8.230 nan 0.000 0.456 59 L N 2.055 123.282 121.223 0.006 0.000 2.367 59 L HA 0.098 4.438 4.340 -0.000 0.000 0.275 59 L C 0.232 177.107 176.870 0.008 0.000 1.129 59 L CA 0.354 55.198 54.840 0.007 0.000 0.839 59 L CB 0.739 42.803 42.059 0.008 0.000 1.133 59 L HN 0.234 nan 8.230 nan 0.000 0.453 60 E N 3.727 123.933 120.200 0.009 0.000 1.858 60 E HA 0.002 4.352 4.350 -0.000 0.000 0.267 60 E C 1.383 177.989 176.600 0.011 0.000 1.215 60 E CA 0.220 56.626 56.400 0.010 0.000 0.952 60 E CB 0.279 29.985 29.700 0.010 0.000 1.058 60 E HN 0.755 nan 8.360 nan 0.000 0.407 61 S N 3.409 119.115 115.700 0.011 0.000 2.414 61 S HA -0.332 4.138 4.470 -0.000 0.000 0.241 61 S C 1.375 175.984 174.600 0.015 0.000 1.079 61 S CA 2.155 60.362 58.200 0.012 0.000 1.087 61 S CB -0.496 62.710 63.200 0.011 0.000 0.927 61 S HN 0.618 nan 8.310 nan 0.000 0.456 62 D N 2.097 122.506 120.400 0.016 0.000 2.350 62 D HA -0.043 4.597 4.640 -0.000 0.000 0.216 62 D C 1.614 177.927 176.300 0.021 0.000 0.968 62 D CA 0.950 54.962 54.000 0.019 0.000 0.894 62 D CB -0.729 40.083 40.800 0.019 0.000 0.909 62 D HN 0.658 nan 8.370 nan 0.000 0.520 63 S N -0.262 115.449 115.700 0.018 0.000 2.743 63 S HA 0.147 4.617 4.470 -0.000 0.000 0.230 63 S C 0.325 174.937 174.600 0.019 0.000 0.950 63 S CA -0.769 57.442 58.200 0.019 0.000 0.976 63 S CB -0.971 62.239 63.200 0.016 0.000 0.779 63 S HN 0.238 nan 8.310 nan 0.000 0.487 64 I N 1.844 122.426 120.570 0.021 0.000 2.359 64 I HA 0.330 4.500 4.170 -0.000 0.000 0.284 64 I C -0.298 175.834 176.117 0.026 0.000 1.018 64 I CA -0.299 61.013 61.300 0.020 0.000 1.173 64 I CB 1.485 39.495 38.000 0.017 0.000 1.326 64 I HN 0.236 nan 8.210 nan 0.000 0.462 65 E N 6.856 127.072 120.200 0.027 0.000 2.028 65 E HA 0.230 4.580 4.350 -0.000 0.000 0.266 65 E C -0.001 176.617 176.600 0.031 0.000 0.962 65 E CA -0.146 56.274 56.400 0.034 0.000 0.784 65 E CB 0.951 30.670 29.700 0.032 0.000 1.114 65 E HN 0.491 nan 8.360 nan 0.000 0.414 66 K N 1.856 122.278 120.400 0.036 0.000 2.402 66 K HA 0.305 4.625 4.320 -0.000 0.000 0.203 66 K C 0.189 176.816 176.600 0.045 0.000 1.077 66 K CA 0.142 56.447 56.287 0.031 0.000 1.051 66 K CB 1.002 33.515 32.500 0.022 0.000 0.907 66 K HN 0.343 nan 8.250 nan 0.000 0.554 67 I N 2.553 123.170 120.570 0.078 0.000 2.411 67 I HA 0.201 4.371 4.170 -0.000 0.000 0.284 67 I C -0.508 175.718 176.117 0.181 0.000 1.012 67 I CA -1.141 60.246 61.300 0.147 0.000 1.119 67 I CB 1.708 39.823 38.000 0.191 0.000 1.261 67 I HN -0.255 nan 8.210 nan 0.000 0.448 68 V N 2.037 121.996 119.914 0.075 0.000 2.960 68 V HA 0.590 4.710 4.120 -0.000 0.000 0.315 68 V C -0.393 175.485 176.094 -0.361 0.000 1.087 68 V CA -0.785 61.505 62.300 -0.018 0.000 0.982 68 V CB 2.020 33.809 31.823 -0.056 0.000 1.039 68 V HN 0.809 nan 8.190 nan 0.000 0.437 69 E N 1.304 121.301 120.200 -0.337 0.000 2.197 69 E HA 0.487 4.837 4.350 -0.000 0.000 0.281 69 E C -0.134 176.271 176.600 -0.324 0.000 0.995 69 E CA -0.590 55.440 56.400 -0.617 0.000 0.808 69 E CB 1.767 31.384 29.700 -0.138 0.000 1.093 69 E HN 0.760 nan 8.360 nan 0.000 0.394 70 I N 2.478 122.839 120.570 -0.349 0.000 2.729 70 I HA 0.148 4.318 4.170 -0.000 0.000 0.256 70 I C 0.549 176.597 176.117 -0.116 0.000 1.115 70 I CA 0.273 61.452 61.300 -0.202 0.000 1.446 70 I CB 0.364 38.231 38.000 -0.222 0.000 1.176 70 I HN 0.576 nan 8.210 nan 0.000 0.446 71 D N -1.557 118.779 120.400 -0.107 0.000 2.643 71 D HA 0.231 4.871 4.640 -0.000 0.000 0.283 71 D C 0.619 176.985 176.300 0.109 0.000 1.242 71 D CA -0.628 53.401 54.000 0.048 0.000 0.863 71 D CB 1.408 42.318 40.800 0.184 0.000 1.382 71 D HN -0.240 nan 8.370 nan 0.000 0.444 72 R N -0.454 120.167 120.500 0.203 0.000 2.159 72 R HA -0.160 4.180 4.340 -0.000 0.000 0.237 72 R C 1.169 177.641 176.300 0.286 0.000 1.131 72 R CA 1.493 57.725 56.100 0.220 0.000 0.982 72 R CB -0.218 30.187 30.300 0.174 0.000 0.868 72 R HN 0.524 nan 8.270 nan 0.000 0.453 73 H N -1.912 117.218 119.070 0.100 0.000 2.549 73 H HA 0.312 4.868 4.556 -0.000 0.000 0.279 73 H C -0.050 175.345 175.328 0.113 0.000 1.018 73 H CA -0.249 55.876 56.048 0.128 0.000 1.175 73 H CB 0.002 29.831 29.762 0.112 0.000 1.485 73 H HN 0.063 nan 8.280 nan 0.000 0.543 74 I N 0.769 121.194 120.570 -0.241 0.000 2.571 74 I HA 0.494 4.664 4.170 -0.000 0.000 0.289 74 I C -0.147 175.741 176.117 -0.381 0.000 1.115 74 I CA -0.920 60.199 61.300 -0.302 0.000 1.045 74 I CB 2.517 40.250 38.000 -0.444 0.000 1.238 74 I HN 0.260 nan 8.210 nan 0.000 0.424 75 G N 3.355 111.914 108.800 -0.402 0.000 2.685 75 G HA2 0.729 4.689 3.960 -0.000 0.000 0.298 75 G HA3 0.729 4.689 3.960 -0.000 0.000 0.298 75 G C -1.704 172.957 174.900 -0.399 0.000 1.277 75 G CA -0.654 43.817 45.100 -1.049 0.000 0.986 75 G HN 0.768 nan 8.290 nan 0.000 0.487 76 C N -0.521 118.585 119.300 -0.324 0.000 3.090 76 C HA 0.858 5.318 4.460 -0.000 0.000 0.347 76 C C -0.395 174.594 174.990 -0.003 0.000 1.147 76 C CA 0.044 59.004 59.018 -0.096 0.000 1.305 76 C CB 0.562 28.222 27.740 -0.133 0.000 1.692 76 C HN 1.525 nan 8.230 nan 0.000 0.506 77 A N 6.733 129.574 122.820 0.035 0.000 2.342 77 A HA 0.893 5.213 4.320 -0.000 0.000 0.323 77 A C -0.356 177.243 177.584 0.025 0.000 1.125 77 A CA -0.550 51.513 52.037 0.043 0.000 0.785 77 A CB 1.119 20.150 19.000 0.051 0.000 1.221 77 A HN 1.492 nan 8.150 nan 0.000 0.463 78 M N 0.440 120.050 119.600 0.016 0.000 2.762 78 M HA 0.865 5.345 4.480 -0.000 0.000 0.306 78 M C -0.379 175.932 176.300 0.018 0.000 1.223 78 M CA -0.586 54.721 55.300 0.010 0.000 0.896 78 M CB 2.031 34.626 32.600 -0.008 0.000 1.684 78 M HN 0.566 nan 8.290 nan 0.000 0.491 79 S N -0.110 115.605 115.700 0.025 0.000 2.626 79 S HA 0.773 5.243 4.470 -0.000 0.000 0.275 79 S C -0.565 174.056 174.600 0.035 0.000 1.175 79 S CA 0.461 58.676 58.200 0.026 0.000 0.982 79 S CB 1.142 64.357 63.200 0.026 0.000 1.093 79 S HN 1.577 nan 8.310 nan 0.000 0.472 80 G N 3.030 111.848 108.800 0.030 0.000 2.236 80 G HA2 0.014 3.974 3.960 -0.000 0.000 0.231 80 G HA3 0.014 3.974 3.960 -0.000 0.000 0.231 80 G C -1.382 173.538 174.900 0.035 0.000 1.334 80 G CA -0.720 44.404 45.100 0.038 0.000 1.137 80 G HN 0.895 nan 8.290 nan 0.000 0.482 81 L N 2.620 123.870 121.223 0.044 0.000 2.451 81 L HA 0.191 4.531 4.340 -0.000 0.000 0.272 81 L C 2.430 179.322 176.870 0.038 0.000 1.258 81 L CA 0.543 55.408 54.840 0.042 0.000 1.132 81 L CB -0.061 42.031 42.059 0.056 0.000 1.361 81 L HN 0.892 nan 8.230 nan 0.000 0.438 82 T N -2.142 112.427 114.554 0.025 0.000 2.969 82 T HA -0.251 4.099 4.350 -0.000 0.000 0.271 82 T C 1.739 176.448 174.700 0.015 0.000 1.127 82 T CA 1.138 63.247 62.100 0.015 0.000 1.102 82 T CB 0.041 68.915 68.868 0.012 0.000 0.855 82 T HN 0.593 nan 8.240 nan 0.000 0.536 83 A N 1.785 124.621 122.820 0.026 0.000 1.968 83 A HA 0.016 4.336 4.320 -0.000 0.000 0.217 83 A C 2.033 179.642 177.584 0.041 0.000 1.169 83 A CA 1.310 53.364 52.037 0.029 0.000 0.638 83 A CB -0.572 18.448 19.000 0.033 0.000 0.812 83 A HN 0.474 nan 8.150 nan 0.000 0.446 84 D N 0.093 120.530 120.400 0.062 0.000 2.310 84 D HA 0.040 4.680 4.640 -0.000 0.000 0.212 84 D C 1.925 178.232 176.300 0.011 0.000 0.965 84 D CA 1.133 55.204 54.000 0.118 0.000 0.879 84 D CB -0.124 40.796 40.800 0.201 0.000 0.921 84 D HN 0.446 nan 8.370 nan 0.000 0.510 85 A N 0.433 123.222 122.820 -0.052 0.000 2.067 85 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 85 A C 2.009 179.524 177.584 -0.114 0.000 1.156 85 A CA 0.453 52.405 52.037 -0.142 0.000 0.683 85 A CB -0.037 18.902 19.000 -0.101 0.000 0.808 85 A HN -0.041 nan 8.150 nan 0.000 0.455 86 R N 1.180 121.653 120.500 -0.046 0.000 2.097 86 R HA -0.162 4.178 4.340 -0.000 0.000 0.236 86 R C 2.488 178.772 176.300 -0.027 0.000 1.135 86 R CA 2.043 58.128 56.100 -0.025 0.000 0.934 86 R CB -1.613 28.689 30.300 0.004 0.000 0.846 86 R HN 0.697 nan 8.270 nan 0.000 0.431 87 S N 0.216 115.914 115.700 -0.003 0.000 2.442 87 S HA -0.099 4.371 4.470 -0.000 0.000 0.236 87 S C 2.101 176.682 174.600 -0.032 0.000 1.007 87 S CA 1.171 59.384 58.200 0.023 0.000 0.965 87 S CB -0.251 63.009 63.200 0.100 0.000 0.773 87 S HN 0.221 nan 8.310 nan 0.000 0.504 88 M N 0.671 120.167 119.600 -0.174 0.000 2.123 88 M HA 0.051 4.531 4.480 -0.000 0.000 0.263 88 M C 1.918 178.143 176.300 -0.124 0.000 1.069 88 M CA 1.088 56.230 55.300 -0.265 0.000 1.133 88 M CB -0.460 31.838 32.600 -0.503 0.000 1.356 88 M HN 0.244 nan 8.290 nan 0.000 0.415 89 I N 0.658 121.162 120.570 -0.110 0.000 2.163 89 I HA -0.263 3.907 4.170 -0.000 0.000 0.243 89 I C 2.393 178.489 176.117 -0.036 0.000 1.085 89 I CA 1.734 62.987 61.300 -0.078 0.000 1.347 89 I CB -1.510 36.447 38.000 -0.072 0.000 1.044 89 I HN 0.323 nan 8.210 nan 0.000 0.408 90 E N 1.001 121.192 120.200 -0.014 0.000 2.048 90 E HA -0.330 4.020 4.350 -0.000 0.000 0.202 90 E C 2.352 178.966 176.600 0.024 0.000 1.021 90 E CA 2.244 58.647 56.400 0.005 0.000 0.825 90 E CB -0.609 29.102 29.700 0.018 0.000 0.756 90 E HN 0.618 nan 8.360 nan 0.000 0.454 91 H N -0.793 118.242 119.070 -0.057 0.000 2.387 91 H HA -0.087 4.469 4.556 -0.000 0.000 0.299 91 H C 1.805 177.085 175.328 -0.080 0.000 1.099 91 H CA 2.012 58.026 56.048 -0.057 0.000 1.315 91 H CB -0.251 29.481 29.762 -0.051 0.000 1.380 91 H HN 0.278 nan 8.280 nan 0.000 0.513 92 A N 0.912 123.792 122.820 0.100 0.000 1.902 92 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 92 A C 2.431 179.977 177.584 -0.064 0.000 1.181 92 A CA 1.584 53.625 52.037 0.008 0.000 0.623 92 A CB -0.468 18.497 19.000 -0.059 0.000 0.818 92 A HN 0.496 nan 8.150 nan 0.000 0.443 93 R N -0.986 119.479 120.500 -0.059 0.000 2.070 93 R HA -0.085 4.255 4.340 -0.000 0.000 0.232 93 R C 2.357 178.620 176.300 -0.061 0.000 1.138 93 R CA 1.909 57.976 56.100 -0.055 0.000 0.936 93 R CB -1.040 29.235 30.300 -0.041 0.000 0.839 93 R HN 0.494 nan 8.270 nan 0.000 0.429 94 T N 1.126 115.631 114.554 -0.082 0.000 2.699 94 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 94 T C 1.939 176.554 174.700 -0.142 0.000 1.036 94 T CA 1.596 63.634 62.100 -0.103 0.000 1.147 94 T CB -0.341 68.449 68.868 -0.129 0.000 0.862 94 T HN 0.431 nan 8.240 nan 0.000 0.446 95 A N 1.151 123.844 122.820 -0.212 0.000 1.933 95 A HA 0.150 4.470 4.320 -0.000 0.000 0.218 95 A C 2.592 180.122 177.584 -0.089 0.000 1.175 95 A CA 1.874 53.785 52.037 -0.210 0.000 0.628 95 A CB -0.941 17.908 19.000 -0.252 0.000 0.814 95 A HN 0.535 nan 8.150 nan 0.000 0.444 96 A N -0.949 121.840 122.820 -0.052 0.000 1.898 96 A HA 0.148 4.468 4.320 -0.000 0.000 0.214 96 A C 2.224 179.849 177.584 0.068 0.000 1.183 96 A CA 1.381 53.431 52.037 0.022 0.000 0.622 96 A CB -0.825 18.197 19.000 0.037 0.000 0.824 96 A HN 0.305 nan 8.150 nan 0.000 0.444 97 V N -0.143 119.790 119.914 0.031 0.000 2.261 97 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 97 V C 2.782 178.903 176.094 0.045 0.000 1.047 97 V CA 2.611 64.935 62.300 0.040 0.000 1.015 97 V CB -1.116 30.718 31.823 0.019 0.000 0.642 97 V HN 0.597 nan 8.190 nan 0.000 0.446 98 T N -1.371 113.179 114.554 -0.005 0.000 2.699 98 T HA -0.313 4.037 4.350 -0.000 0.000 0.268 98 T C 1.796 176.461 174.700 -0.058 0.000 1.036 98 T CA 2.271 64.335 62.100 -0.060 0.000 1.147 98 T CB -0.415 68.332 68.868 -0.202 0.000 0.862 98 T HN 0.720 nan 8.240 nan 0.000 0.446 99 H N 1.300 120.323 119.070 -0.079 0.000 2.353 99 H HA 0.001 4.557 4.556 -0.000 0.000 0.300 99 H C 2.424 177.834 175.328 0.137 0.000 1.090 99 H CA 1.761 57.829 56.048 0.033 0.000 1.327 99 H CB -0.246 29.532 29.762 0.026 0.000 1.383 99 H HN 0.269 nan 8.280 nan 0.000 0.508 100 N N -0.003 118.809 118.700 0.188 0.000 2.149 100 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 100 N C 2.013 177.577 175.510 0.090 0.000 1.019 100 N CA 1.218 54.344 53.050 0.128 0.000 0.857 100 N CB -0.112 38.431 38.487 0.093 0.000 0.997 100 N HN 0.364 nan 8.380 nan 0.000 0.426 101 L N 0.710 122.001 121.223 0.112 0.000 1.994 101 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 101 L C 1.619 178.560 176.870 0.119 0.000 1.071 101 L CA 1.694 56.611 54.840 0.127 0.000 0.745 101 L CB -1.137 41.040 42.059 0.198 0.000 0.892 101 L HN 0.164 nan 8.230 nan 0.000 0.431 102 Y N -1.962 118.218 120.300 -0.201 0.000 2.561 102 Y HA -0.047 4.503 4.550 -0.000 0.000 0.291 102 Y C 1.103 176.599 175.900 -0.674 0.000 1.141 102 Y CA 0.565 58.402 58.100 -0.440 0.000 1.303 102 Y CB -0.399 37.716 38.460 -0.574 0.000 1.015 102 Y HN 0.289 nan 8.280 nan 0.000 0.547 103 Y N -1.752 118.510 120.300 -0.063 0.000 2.666 103 Y HA 0.188 4.738 4.550 -0.000 0.000 0.260 103 Y C 0.111 175.974 175.900 -0.062 0.000 1.089 103 Y CA -0.835 57.195 58.100 -0.117 0.000 1.246 103 Y CB 0.536 38.825 38.460 -0.284 0.000 1.353 103 Y HN -0.112 nan 8.280 nan 0.000 0.558 104 D N 2.690 123.134 120.400 0.073 0.000 2.735 104 D HA -0.214 4.426 4.640 -0.000 0.000 0.235 104 D C -0.240 176.102 176.300 0.069 0.000 1.175 104 D CA 1.933 55.966 54.000 0.056 0.000 0.683 104 D CB -0.572 40.247 40.800 0.032 0.000 1.008 104 D HN 0.751 nan 8.370 nan 0.000 0.416 105 E N -1.252 119.001 120.200 0.089 0.000 2.421 105 E HA 0.328 4.678 4.350 -0.000 0.000 0.278 105 E C -1.541 175.118 176.600 0.099 0.000 1.141 105 E CA -1.133 55.311 56.400 0.074 0.000 0.880 105 E CB 0.367 30.121 29.700 0.089 0.000 1.381 105 E HN -0.089 nan 8.360 nan 0.000 0.436 106 D N 0.898 121.289 120.400 -0.015 0.000 2.304 106 D HA 0.303 4.943 4.640 -0.000 0.000 0.247 106 D C -0.243 176.042 176.300 -0.025 0.000 1.089 106 D CA -0.250 53.654 54.000 -0.160 0.000 0.910 106 D CB 1.356 41.811 40.800 -0.575 0.000 1.199 106 D HN 0.416 nan 8.370 nan 0.000 0.426 107 I N 1.565 122.119 120.570 -0.026 0.000 2.575 107 I HA 0.006 4.176 4.170 -0.000 0.000 0.285 107 I C 0.398 176.470 176.117 -0.076 0.000 1.085 107 I CA -0.328 60.765 61.300 -0.345 0.000 1.403 107 I CB 0.370 38.142 38.000 -0.380 0.000 1.409 107 I HN 0.174 nan 8.210 nan 0.000 0.557 108 N N 4.267 122.845 118.700 -0.203 0.000 2.492 108 N HA 0.037 4.777 4.740 -0.000 0.000 0.260 108 N C 1.097 176.527 175.510 -0.133 0.000 1.215 108 N CA -0.489 52.497 53.050 -0.107 0.000 0.923 108 N CB 1.439 39.854 38.487 -0.120 0.000 1.092 108 N HN 0.466 nan 8.380 nan 0.000 0.448 109 V N 1.934 121.795 119.914 -0.089 0.000 2.332 109 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 109 V C 2.173 178.068 176.094 -0.333 0.000 1.055 109 V CA 1.745 63.954 62.300 -0.152 0.000 1.038 109 V CB -0.670 31.161 31.823 0.013 0.000 0.651 109 V HN 0.802 nan 8.190 nan 0.000 0.450 110 E N 0.600 120.643 120.200 -0.261 0.000 2.038 110 E HA -0.241 4.109 4.350 -0.000 0.000 0.195 110 E C 2.331 178.649 176.600 -0.470 0.000 1.000 110 E CA 1.891 58.018 56.400 -0.456 0.000 0.803 110 E CB -0.187 29.485 29.700 -0.047 0.000 0.750 110 E HN 0.605 nan 8.360 nan 0.000 0.448 111 S N 1.422 116.947 115.700 -0.292 0.000 2.365 111 S HA -0.185 4.285 4.470 -0.000 0.000 0.225 111 S C 1.832 176.247 174.600 -0.307 0.000 1.039 111 S CA 1.181 59.218 58.200 -0.271 0.000 1.033 111 S CB -0.426 62.624 63.200 -0.250 0.000 0.887 111 S HN 0.364 nan 8.310 nan 0.000 0.447 112 L N 1.866 122.900 121.223 -0.316 0.000 1.994 112 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 112 L C 2.144 178.804 176.870 -0.351 0.000 1.071 112 L CA 2.087 56.760 54.840 -0.278 0.000 0.745 112 L CB -1.966 39.941 42.059 -0.254 0.000 0.892 112 L HN 0.297 nan 8.230 nan 0.000 0.431 113 T N 0.082 114.317 114.554 -0.531 0.000 2.635 113 T HA -0.289 4.061 4.350 -0.000 0.000 0.267 113 T C 1.723 175.953 174.700 -0.784 0.000 1.040 113 T CA 2.013 63.690 62.100 -0.706 0.000 1.156 113 T CB -0.276 67.927 68.868 -1.107 0.000 0.863 113 T HN 0.356 nan 8.240 nan 0.000 0.430 114 Q N 1.103 120.380 119.800 -0.873 0.000 2.197 114 Q HA -0.095 4.245 4.340 -0.000 0.000 0.207 114 Q C 2.362 178.171 176.000 -0.318 0.000 0.984 114 Q CA 2.014 57.426 55.803 -0.651 0.000 0.869 114 Q CB -0.783 27.723 28.738 -0.387 0.000 0.906 114 Q HN 0.447 nan 8.270 nan 0.000 0.426 115 S N -1.592 113.966 115.700 -0.238 0.000 2.368 115 S HA -0.073 4.397 4.470 -0.000 0.000 0.224 115 S C 1.762 176.307 174.600 -0.091 0.000 1.029 115 S CA 1.125 59.289 58.200 -0.059 0.000 0.988 115 S CB -0.284 62.935 63.200 0.031 0.000 0.838 115 S HN 0.322 nan 8.310 nan 0.000 0.462 116 V N 1.162 120.962 119.914 -0.191 0.000 2.343 116 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 116 V C 2.553 178.505 176.094 -0.237 0.000 1.051 116 V CA 1.804 63.940 62.300 -0.273 0.000 1.036 116 V CB -1.111 30.566 31.823 -0.244 0.000 0.654 116 V HN 0.643 nan 8.190 nan 0.000 0.451 117 C N 0.188 119.360 119.300 -0.213 0.000 2.437 117 C HA -0.097 4.363 4.460 -0.000 0.000 0.283 117 C C 2.320 177.284 174.990 -0.043 0.000 1.424 117 C CA 0.458 59.420 59.018 -0.093 0.000 1.782 117 C CB -1.229 26.481 27.740 -0.049 0.000 1.833 117 C HN 0.569 nan 8.230 nan 0.000 0.532 118 D N 0.928 121.280 120.400 -0.080 0.000 2.263 118 D HA -0.046 4.594 4.640 -0.000 0.000 0.208 118 D C 1.969 178.248 176.300 -0.035 0.000 0.971 118 D CA 0.843 54.819 54.000 -0.040 0.000 0.867 118 D CB -0.191 40.590 40.800 -0.031 0.000 0.929 118 D HN 0.479 nan 8.370 nan 0.000 0.492 119 L N 0.136 121.325 121.223 -0.056 0.000 2.095 119 L HA -0.006 4.334 4.340 -0.000 0.000 0.204 119 L C 2.477 179.401 176.870 0.089 0.000 1.080 119 L CA 0.657 55.510 54.840 0.021 0.000 0.759 119 L CB -0.588 41.524 42.059 0.088 0.000 0.914 119 L HN -0.049 nan 8.230 nan 0.000 0.439 120 A N 1.182 124.101 122.820 0.165 0.000 1.906 120 A HA -0.303 4.017 4.320 -0.000 0.000 0.236 120 A C 1.965 179.537 177.584 -0.019 0.000 1.793 120 A CA 2.353 54.477 52.037 0.145 0.000 0.813 120 A CB -1.324 17.745 19.000 0.115 0.000 0.841 120 A HN 0.420 nan 8.150 nan 0.000 0.491 121 L N -0.503 120.708 121.223 -0.020 0.000 2.675 121 L HA 0.027 4.367 4.340 -0.000 0.000 0.239 121 L C 0.826 177.648 176.870 -0.080 0.000 1.151 121 L CA -0.171 54.634 54.840 -0.058 0.000 0.905 121 L CB -0.514 41.523 42.059 -0.036 0.000 1.057 121 L HN 0.293 nan 8.230 nan 0.000 0.435 122 R N 1.301 121.745 120.500 -0.093 0.000 2.390 122 R HA 0.275 4.615 4.340 -0.000 0.000 0.291 122 R C 0.221 176.443 176.300 -0.129 0.000 1.070 122 R CA -0.272 55.773 56.100 -0.091 0.000 1.014 122 R CB 1.005 31.265 30.300 -0.066 0.000 1.007 122 R HN 0.128 nan 8.270 nan 0.000 0.466 126 R N 3.297 123.783 120.500 -0.023 0.000 2.351 126 R HA 0.197 4.537 4.340 -0.000 0.000 0.321 126 R C -0.291 175.985 176.300 -0.041 0.000 1.182 126 R CA -0.528 55.550 56.100 -0.037 0.000 1.011 126 R CB 0.050 30.321 30.300 -0.047 0.000 1.048 126 R HN 0.257 nan 8.270 nan 0.000 0.490 127 L N 4.041 125.241 121.223 -0.038 0.000 2.589 127 L HA 0.418 4.758 4.340 -0.000 0.000 0.244 127 L C -0.275 176.564 176.870 -0.053 0.000 1.159 127 L CA 0.181 54.999 54.840 -0.036 0.000 1.074 127 L CB 0.041 42.088 42.059 -0.019 0.000 1.391 127 L HN 0.543 nan 8.230 nan 0.000 0.423 128 M N -0.196 119.357 119.600 -0.079 0.000 2.325 128 M HA 0.180 4.660 4.480 -0.000 0.000 0.285 128 M C 0.570 176.804 176.300 -0.110 0.000 1.119 128 M CA -0.123 55.109 55.300 -0.113 0.000 0.959 128 M CB 2.065 34.549 32.600 -0.193 0.000 1.737 128 M HN 0.245 nan 8.290 nan 0.000 0.486 129 S N 3.532 119.177 115.700 -0.092 0.000 2.496 129 S HA 0.177 4.647 4.470 -0.000 0.000 0.224 129 S C 0.364 174.913 174.600 -0.085 0.000 0.996 129 S CA 0.242 58.397 58.200 -0.074 0.000 0.927 129 S CB -0.072 63.100 63.200 -0.048 0.000 0.774 129 S HN 0.790 nan 8.310 nan 0.000 0.524 130 R N -0.877 119.550 120.500 -0.121 0.000 2.664 130 R HA 0.571 4.911 4.340 -0.000 0.000 0.266 130 R C -3.697 172.488 176.300 -0.192 0.000 1.046 130 R CA -1.833 54.199 56.100 -0.114 0.000 0.885 130 R CB -0.197 30.067 30.300 -0.060 0.000 1.254 130 R HN -0.082 nan 8.270 nan 0.000 0.465 131 P HA 0.013 nan 4.420 nan 0.000 0.271 131 P C -0.862 176.341 177.300 -0.162 0.000 1.238 131 P CA 0.050 63.035 63.100 -0.192 0.000 0.794 131 P CB 0.276 31.937 31.700 -0.063 0.000 0.959 132 F N -0.136 119.810 119.950 -0.007 0.000 2.443 132 F HA 0.266 4.793 4.527 -0.000 0.000 0.353 132 F C 1.761 177.568 175.800 0.011 0.000 1.101 132 F CA 0.040 58.038 58.000 -0.004 0.000 1.226 132 F CB 0.362 39.353 39.000 -0.015 0.000 1.140 132 F HN 0.274 nan 8.300 nan 0.000 0.557 133 G N 3.120 112.052 108.800 0.219 0.000 3.709 133 G HA2 0.408 4.368 3.960 -0.000 0.000 0.272 133 G HA3 0.408 4.368 3.960 -0.000 0.000 0.272 133 G C -0.907 174.065 174.900 0.119 0.000 1.259 133 G CA -0.063 45.120 45.100 0.138 0.000 1.512 133 G HN 0.521 nan 8.290 nan 0.000 0.625 134 V N -0.940 119.050 119.914 0.127 0.000 3.204 134 V HA 0.857 4.977 4.120 -0.000 0.000 0.298 134 V C -1.476 174.654 176.094 0.060 0.000 1.328 134 V CA -0.339 62.004 62.300 0.071 0.000 1.035 134 V CB 2.104 33.944 31.823 0.028 0.000 1.095 134 V HN 0.707 nan 8.190 nan 0.000 0.442 135 A N 4.488 127.344 122.820 0.060 0.000 2.413 135 A HA 0.985 5.305 4.320 -0.000 0.000 0.307 135 A C -1.581 176.044 177.584 0.069 0.000 1.087 135 A CA -0.712 51.371 52.037 0.078 0.000 0.750 135 A CB 1.759 20.873 19.000 0.190 0.000 1.296 135 A HN 0.969 nan 8.150 nan 0.000 0.423 136 L N 0.834 122.098 121.223 0.068 0.000 2.341 136 L HA 0.577 4.917 4.340 -0.000 0.000 0.267 136 L C -0.925 176.036 176.870 0.152 0.000 1.009 136 L CA -0.580 54.298 54.840 0.063 0.000 0.819 136 L CB 1.949 43.997 42.059 -0.018 0.000 1.323 136 L HN 0.553 nan 8.230 nan 0.000 0.425 137 L N 3.440 124.733 121.223 0.117 0.000 2.294 137 L HA 0.527 4.867 4.340 -0.000 0.000 0.283 137 L C -0.762 176.177 176.870 0.115 0.000 1.015 137 L CA -0.313 54.614 54.840 0.145 0.000 0.831 137 L CB 1.599 43.710 42.059 0.087 0.000 1.217 137 L HN 0.475 nan 8.230 nan 0.000 0.420 138 I N 3.499 124.167 120.570 0.163 0.000 2.330 138 I HA 0.544 4.714 4.170 -0.000 0.000 0.289 138 I C 0.064 176.301 176.117 0.201 0.000 1.001 138 I CA -0.228 61.140 61.300 0.114 0.000 1.193 138 I CB 1.779 39.809 38.000 0.050 0.000 1.345 138 I HN 0.588 nan 8.210 nan 0.000 0.461 139 A N 4.720 127.624 122.820 0.139 0.000 2.414 139 A HA 0.979 5.299 4.320 -0.000 0.000 0.306 139 A C -0.271 177.407 177.584 0.155 0.000 1.054 139 A CA -0.385 51.765 52.037 0.188 0.000 0.724 139 A CB 1.771 20.881 19.000 0.184 0.000 1.267 139 A HN 0.827 nan 8.150 nan 0.000 0.418 140 G N 0.279 109.196 108.800 0.194 0.000 2.561 140 G HA2 0.579 4.539 3.960 -0.000 0.000 0.310 140 G HA3 0.579 4.539 3.960 -0.000 0.000 0.310 140 G C -1.723 173.327 174.900 0.250 0.000 1.292 140 G CA -0.323 44.869 45.100 0.155 0.000 0.811 140 G HN 1.211 nan 8.290 nan 0.000 0.482 141 H N 0.317 119.436 119.070 0.082 0.000 2.954 141 H HA 0.573 5.129 4.556 -0.000 0.000 0.361 141 H C -1.739 173.633 175.328 0.074 0.000 1.122 141 H CA -0.210 55.842 56.048 0.006 0.000 1.217 141 H CB 2.507 32.152 29.762 -0.196 0.000 1.776 141 H HN 0.768 nan 8.280 nan 0.000 0.533 142 D N 1.914 121.925 120.400 -0.648 0.000 2.559 142 D HA 0.409 5.049 4.640 -0.000 0.000 0.250 142 D C -0.046 175.848 176.300 -0.677 0.000 1.135 142 D CA -0.635 53.134 54.000 -0.385 0.000 0.955 142 D CB 0.979 41.711 40.800 -0.113 0.000 1.442 142 D HN 0.439 nan 8.370 nan 0.000 0.471 143 A N 0.077 122.735 122.820 -0.270 0.000 2.233 143 A HA 0.009 4.329 4.320 -0.000 0.000 0.230 143 A C 0.637 178.143 177.584 -0.130 0.000 1.347 143 A CA -0.168 51.776 52.037 -0.155 0.000 1.087 143 A CB -1.084 17.896 19.000 -0.033 0.000 0.871 143 A HN 0.534 nan 8.150 nan 0.000 0.519 144 D N 1.214 121.563 120.400 -0.085 0.000 2.409 144 D HA -0.026 4.614 4.640 -0.000 0.000 0.232 144 D C 1.420 177.688 176.300 -0.053 0.000 1.081 144 D CA 1.377 55.353 54.000 -0.039 0.000 1.033 144 D CB -0.531 40.274 40.800 0.009 0.000 0.859 144 D HN 0.757 nan 8.370 nan 0.000 0.502 145 G N 0.256 108.961 108.800 -0.158 0.000 2.633 145 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.263 145 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.263 145 G C -0.353 174.512 174.900 -0.058 0.000 1.310 145 G CA -0.482 44.546 45.100 -0.120 0.000 0.914 145 G HN 0.301 nan 8.290 nan 0.000 0.569 146 Y N 1.503 121.968 120.300 0.274 0.000 2.526 146 Y HA 0.468 5.018 4.550 -0.000 0.000 0.330 146 Y C 1.270 177.248 175.900 0.131 0.000 1.156 146 Y CA 0.830 59.072 58.100 0.236 0.000 1.419 146 Y CB 0.732 39.312 38.460 0.201 0.000 1.250 146 Y HN 0.598 nan 8.280 nan 0.000 0.540 147 Q N 2.357 122.322 119.800 0.274 0.000 2.379 147 Q HA 0.621 4.961 4.340 -0.000 0.000 0.278 147 Q C -1.907 174.179 176.000 0.142 0.000 1.068 147 Q CA -1.145 54.742 55.803 0.139 0.000 0.816 147 Q CB 2.936 31.773 28.738 0.165 0.000 1.387 147 Q HN 0.534 nan 8.270 nan 0.000 0.413 148 L N 1.622 122.827 121.223 -0.031 0.000 2.386 148 L HA 0.714 5.054 4.340 -0.000 0.000 0.271 148 L C -1.984 174.844 176.870 -0.070 0.000 0.993 148 L CA -0.219 54.654 54.840 0.057 0.000 0.819 148 L CB 1.215 43.303 42.059 0.050 0.000 1.294 148 L HN 0.594 nan 8.230 nan 0.000 0.414 149 F N 3.172 123.238 119.950 0.193 0.000 2.576 149 F HA 0.440 4.967 4.527 -0.000 0.000 0.313 149 F C -0.442 175.549 175.800 0.318 0.000 1.078 149 F CA -0.574 57.592 58.000 0.276 0.000 0.921 149 F CB 1.749 40.881 39.000 0.221 0.000 1.232 149 F HN 0.515 nan 8.300 nan 0.000 0.459 150 H N 1.974 121.348 119.070 0.506 0.000 2.511 150 H HA 0.777 5.333 4.556 -0.000 0.000 0.328 150 H C -1.543 174.010 175.328 0.375 0.000 1.044 150 H CA -0.795 55.464 56.048 0.351 0.000 1.212 150 H CB 1.395 31.369 29.762 0.353 0.000 1.428 150 H HN 0.789 nan 8.280 nan 0.000 0.483 151 A N 5.613 128.431 122.820 -0.004 0.000 2.273 151 A HA 0.331 4.651 4.320 -0.000 0.000 0.315 151 A C -0.468 177.005 177.584 -0.186 0.000 1.256 151 A CA -0.751 51.259 52.037 -0.045 0.000 0.851 151 A CB 0.820 19.809 19.000 -0.018 0.000 1.172 151 A HN 0.864 nan 8.150 nan 0.000 0.508 152 E N 2.709 122.808 120.200 -0.168 0.000 2.227 152 E HA 0.317 4.667 4.350 -0.000 0.000 0.268 152 E C -2.040 174.583 176.600 0.037 0.000 0.990 152 E CA -1.962 54.389 56.400 -0.081 0.000 0.856 152 E CB 1.286 30.955 29.700 -0.052 0.000 1.159 152 E HN 0.335 nan 8.360 nan 0.000 0.401 153 P HA -0.092 nan 4.420 nan 0.000 0.242 153 P C 0.575 177.926 177.300 0.084 0.000 1.198 153 P CA 0.808 63.990 63.100 0.136 0.000 0.756 153 P CB 0.083 31.870 31.700 0.145 0.000 0.911 154 S N -2.822 112.919 115.700 0.068 0.000 2.524 154 S HA 0.306 4.776 4.470 -0.000 0.000 0.216 154 S C 1.741 176.376 174.600 0.058 0.000 0.987 154 S CA 0.486 58.717 58.200 0.051 0.000 0.909 154 S CB -0.570 62.666 63.200 0.058 0.000 0.781 154 S HN 0.251 nan 8.310 nan 0.000 0.521 155 G N 1.366 110.214 108.800 0.080 0.000 2.213 155 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.226 155 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.226 155 G C 0.250 175.238 174.900 0.147 0.000 0.992 155 G CA 0.073 45.228 45.100 0.092 0.000 0.632 155 G HN 1.070 nan 8.290 nan 0.000 0.511 156 T N -0.382 114.251 114.554 0.131 0.000 2.922 156 T HA 0.742 5.092 4.350 -0.000 0.000 0.285 156 T C -0.286 174.548 174.700 0.223 0.000 1.005 156 T CA -0.012 62.161 62.100 0.122 0.000 1.061 156 T CB 1.901 70.825 68.868 0.094 0.000 1.007 156 T HN 1.544 nan 8.240 nan 0.000 0.502 157 F N -0.782 119.205 119.950 0.062 0.000 2.628 157 F HA 0.747 5.274 4.527 -0.000 0.000 0.309 157 F C -1.935 173.987 175.800 0.204 0.000 1.108 157 F CA -1.721 56.364 58.000 0.142 0.000 0.971 157 F CB 1.075 40.123 39.000 0.081 0.000 1.279 157 F HN 0.592 nan 8.300 nan 0.000 0.441 158 Y N 1.272 121.632 120.300 0.099 0.000 2.570 158 Y HA 0.608 5.158 4.550 -0.000 0.000 0.345 158 Y C -0.336 175.542 175.900 -0.036 0.000 1.014 158 Y CA -1.174 56.855 58.100 -0.119 0.000 1.063 158 Y CB 2.192 40.486 38.460 -0.276 0.000 1.272 158 Y HN 0.775 nan 8.280 nan 0.000 0.477 159 R N 1.801 122.194 120.500 -0.178 0.000 2.346 159 R HA 0.458 4.798 4.340 -0.000 0.000 0.311 159 R C -2.065 174.001 176.300 -0.390 0.000 0.983 159 R CA -0.323 55.490 56.100 -0.478 0.000 0.880 159 R CB 0.610 30.547 30.300 -0.605 0.000 1.100 159 R HN 0.716 nan 8.270 nan 0.000 0.453 160 Y N 1.858 122.023 120.300 -0.225 0.000 2.536 160 Y HA 0.246 4.796 4.550 -0.000 0.000 0.347 160 Y C 0.749 176.466 175.900 -0.306 0.000 1.000 160 Y CA -0.690 57.275 58.100 -0.225 0.000 1.051 160 Y CB 2.382 40.738 38.460 -0.173 0.000 1.259 160 Y HN 0.674 nan 8.280 nan 0.000 0.468 161 N N 1.105 119.616 118.700 -0.314 0.000 2.409 161 N HA 0.276 5.016 4.740 -0.000 0.000 0.179 161 N C -0.546 174.670 175.510 -0.490 0.000 1.032 161 N CA 0.705 53.390 53.050 -0.607 0.000 0.898 161 N CB 0.364 37.866 38.487 -1.642 0.000 0.971 161 N HN 0.573 nan 8.380 nan 0.000 0.441 162 A N 0.180 122.802 122.820 -0.330 0.000 2.590 162 A HA 0.652 4.972 4.320 -0.000 0.000 0.296 162 A C -1.566 175.872 177.584 -0.244 0.000 1.050 162 A CA -0.661 51.250 52.037 -0.209 0.000 0.697 162 A CB 1.446 20.334 19.000 -0.186 0.000 1.277 162 A HN 0.016 nan 8.150 nan 0.000 0.411 163 K N 0.216 120.449 120.400 -0.278 0.000 2.578 163 K HA 0.795 5.115 4.320 -0.000 0.000 0.269 163 K C -1.392 175.008 176.600 -0.333 0.000 0.941 163 K CA 0.465 56.456 56.287 -0.493 0.000 0.847 163 K CB 1.968 33.931 32.500 -0.896 0.000 1.397 163 K HN 2.010 nan 8.250 nan 0.000 0.422 164 A N 3.721 126.330 122.820 -0.351 0.000 2.386 164 A HA 0.869 5.189 4.320 -0.000 0.000 0.311 164 A C -0.884 176.534 177.584 -0.276 0.000 1.068 164 A CA -0.773 51.122 52.037 -0.236 0.000 0.743 164 A CB 0.400 19.301 19.000 -0.165 0.000 1.258 164 A HN 0.789 nan 8.150 nan 0.000 0.429 165 I N -1.112 119.343 120.570 -0.192 0.000 2.969 165 I HA 0.959 5.129 4.170 -0.000 0.000 0.307 165 I C 0.233 176.306 176.117 -0.074 0.000 1.149 165 I CA -0.388 60.816 61.300 -0.159 0.000 1.008 165 I CB 2.166 40.087 38.000 -0.132 0.000 1.232 165 I HN 1.741 nan 8.210 nan 0.000 0.435 166 G N 2.852 111.627 108.800 -0.041 0.000 2.483 166 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.521 166 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.521 166 G C 0.316 175.203 174.900 -0.022 0.000 1.278 166 G CA 0.107 45.196 45.100 -0.019 0.000 0.965 166 G HN 1.441 nan 8.290 nan 0.000 0.504 167 S N -0.695 114.997 115.700 -0.014 0.000 2.377 167 S HA -0.021 4.449 4.470 -0.000 0.000 0.224 167 S C 2.422 177.009 174.600 -0.021 0.000 1.042 167 S CA 2.496 60.688 58.200 -0.013 0.000 1.086 167 S CB -0.990 62.205 63.200 -0.009 0.000 0.995 167 S HN 2.358 nan 8.310 nan 0.000 0.428 168 G N 1.353 110.137 108.800 -0.026 0.000 3.295 168 G HA2 0.253 4.213 3.960 -0.000 0.000 0.231 168 G HA3 0.253 4.213 3.960 -0.000 0.000 0.231 168 G C 1.247 176.121 174.900 -0.045 0.000 1.277 168 G CA 0.505 45.587 45.100 -0.030 0.000 1.013 168 G HN 0.719 nan 8.290 nan 0.000 0.509 169 S N 1.727 117.394 115.700 -0.055 0.000 2.365 169 S HA -0.247 4.223 4.470 -0.000 0.000 0.221 169 S C 2.171 176.724 174.600 -0.078 0.000 1.037 169 S CA 1.663 59.813 58.200 -0.083 0.000 1.060 169 S CB -0.368 62.775 63.200 -0.095 0.000 0.974 169 S HN 0.532 nan 8.310 nan 0.000 0.427 170 E N 2.876 123.043 120.200 -0.056 0.000 2.085 170 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 170 E C 2.165 178.742 176.600 -0.039 0.000 0.994 170 E CA 1.742 58.114 56.400 -0.046 0.000 0.801 170 E CB -1.591 28.091 29.700 -0.030 0.000 0.743 170 E HN 0.566 nan 8.360 nan 0.000 0.453 171 G N 1.477 110.257 108.800 -0.033 0.000 2.484 171 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.215 171 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.215 171 G C 1.907 176.789 174.900 -0.030 0.000 1.219 171 G CA 1.996 47.081 45.100 -0.026 0.000 0.791 171 G HN 0.543 nan 8.290 nan 0.000 0.550 172 A N 0.048 122.845 122.820 -0.039 0.000 1.917 172 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 172 A C 2.342 179.894 177.584 -0.054 0.000 1.182 172 A CA 2.496 54.506 52.037 -0.044 0.000 0.633 172 A CB -0.578 18.388 19.000 -0.056 0.000 0.819 172 A HN 0.418 nan 8.150 nan 0.000 0.448 173 Q N -0.148 119.606 119.800 -0.077 0.000 2.061 173 Q HA -0.111 4.229 4.340 -0.000 0.000 0.204 173 Q C 2.129 178.099 176.000 -0.049 0.000 0.984 173 Q CA 2.434 58.181 55.803 -0.093 0.000 0.846 173 Q CB -0.738 27.930 28.738 -0.116 0.000 0.902 173 Q HN 0.581 nan 8.270 nan 0.000 0.421 174 A N -0.068 122.732 122.820 -0.033 0.000 1.883 174 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 174 A C 2.074 179.661 177.584 0.004 0.000 1.186 174 A CA 1.906 53.937 52.037 -0.011 0.000 0.624 174 A CB -0.804 18.190 19.000 -0.010 0.000 0.822 174 A HN 0.532 nan 8.150 nan 0.000 0.444 175 E N -0.133 120.068 120.200 0.001 0.000 2.051 175 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 175 E C 1.923 178.545 176.600 0.037 0.000 0.991 175 E CA 1.206 57.615 56.400 0.015 0.000 0.799 175 E CB -0.308 29.396 29.700 0.007 0.000 0.748 175 E HN 0.588 nan 8.360 nan 0.000 0.449 176 L N 0.349 121.588 121.223 0.027 0.000 1.990 176 L HA -0.245 4.095 4.340 -0.000 0.000 0.213 176 L C 2.528 179.465 176.870 0.113 0.000 1.072 176 L CA 0.911 55.787 54.840 0.060 0.000 0.755 176 L CB -0.637 41.422 42.059 -0.001 0.000 0.889 176 L HN 0.350 nan 8.230 nan 0.000 0.432 177 L N 0.075 121.339 121.223 0.068 0.000 2.064 177 L HA -0.309 4.031 4.340 -0.000 0.000 0.216 177 L C 2.384 179.336 176.870 0.137 0.000 1.077 177 L CA 2.043 56.938 54.840 0.091 0.000 0.766 177 L CB -1.106 40.980 42.059 0.046 0.000 0.890 177 L HN 0.476 nan 8.230 nan 0.000 0.435 178 N N -0.447 118.314 118.700 0.101 0.000 2.109 178 N HA -0.146 4.594 4.740 -0.000 0.000 0.188 178 N C 1.539 177.116 175.510 0.112 0.000 1.034 178 N CA 1.145 54.248 53.050 0.089 0.000 0.846 178 N CB 0.028 38.545 38.487 0.051 0.000 1.010 178 N HN 0.415 nan 8.380 nan 0.000 0.425 179 E N -0.065 120.207 120.200 0.120 0.000 2.153 179 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 179 E C 0.497 177.225 176.600 0.212 0.000 0.988 179 E CA 0.256 56.733 56.400 0.129 0.000 0.811 179 E CB -0.235 29.530 29.700 0.108 0.000 0.746 179 E HN 0.367 nan 8.360 nan 0.000 0.466 180 W N 2.393 123.751 121.300 0.097 0.000 2.181 180 W HA 0.040 4.700 4.660 -0.000 0.000 0.335 180 W C 0.265 176.905 176.519 0.201 0.000 1.310 180 W CA 0.627 58.039 57.345 0.112 0.000 1.226 180 W CB 0.344 29.832 29.460 0.047 0.000 1.155 180 W HN 0.096 nan 8.180 nan 0.000 0.565 181 H N 0.867 119.138 119.070 -1.332 0.000 3.094 181 H HA 0.251 4.806 4.556 -0.000 0.000 0.346 181 H C 0.806 175.277 175.328 -1.429 0.000 1.238 181 H CA -0.432 54.886 56.048 -1.216 0.000 1.209 181 H CB 0.835 30.301 29.762 -0.493 0.000 1.911 181 H HN 0.306 nan 8.280 nan 0.000 0.540 182 S N 1.754 116.879 115.700 -0.958 0.000 2.380 182 S HA -0.259 4.211 4.470 -0.000 0.000 0.229 182 S C 1.201 175.553 174.600 -0.413 0.000 1.050 182 S CA 1.657 59.555 58.200 -0.504 0.000 1.100 182 S CB -0.974 62.136 63.200 -0.150 0.000 0.984 182 S HN 0.568 nan 8.310 nan 0.000 0.434 183 S N 2.109 117.616 115.700 -0.322 0.000 2.871 183 S HA 0.416 4.886 4.470 -0.000 0.000 0.254 183 S C 0.292 174.639 174.600 -0.421 0.000 1.088 183 S CA -0.315 57.743 58.200 -0.238 0.000 1.166 183 S CB -0.760 62.417 63.200 -0.039 0.000 0.826 183 S HN 0.361 nan 8.310 nan 0.000 0.471 184 L N 1.787 122.575 121.223 -0.725 0.000 2.475 184 L HA 0.315 4.655 4.340 -0.000 0.000 0.250 184 L C 1.033 177.750 176.870 -0.255 0.000 1.224 184 L CA -0.091 54.382 54.840 -0.612 0.000 0.821 184 L CB 0.737 42.430 42.059 -0.610 0.000 1.141 184 L HN 0.276 nan 8.230 nan 0.000 0.494 185 T N -1.359 113.102 114.554 -0.155 0.000 2.916 185 T HA 0.248 4.598 4.350 -0.000 0.000 0.292 185 T C 0.588 175.246 174.700 -0.070 0.000 1.055 185 T CA -0.804 61.241 62.100 -0.091 0.000 1.009 185 T CB 1.313 70.150 68.868 -0.052 0.000 1.118 185 T HN 0.460 nan 8.240 nan 0.000 0.497 186 L N 1.888 123.075 121.223 -0.061 0.000 2.013 186 L HA -0.041 4.299 4.340 -0.000 0.000 0.212 186 L C 2.585 179.451 176.870 -0.007 0.000 1.073 186 L CA 1.956 56.771 54.840 -0.042 0.000 0.753 186 L CB -0.627 41.413 42.059 -0.031 0.000 0.890 186 L HN 0.799 nan 8.230 nan 0.000 0.432 187 K N -0.740 119.661 120.400 0.000 0.000 2.057 187 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 187 K C 1.972 178.577 176.600 0.009 0.000 1.050 187 K CA 1.717 58.014 56.287 0.017 0.000 0.935 187 K CB -0.274 32.234 32.500 0.012 0.000 0.715 187 K HN 0.470 nan 8.250 nan 0.000 0.439 188 E N 0.909 121.106 120.200 -0.004 0.000 2.070 188 E HA -0.230 4.120 4.350 -0.000 0.000 0.197 188 E C 2.128 178.729 176.600 0.001 0.000 1.004 188 E CA 1.311 57.711 56.400 -0.000 0.000 0.805 188 E CB -0.201 29.494 29.700 -0.009 0.000 0.744 188 E HN 0.343 nan 8.360 nan 0.000 0.451 189 A N 1.419 124.232 122.820 -0.011 0.000 1.883 189 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 189 A C 1.946 179.526 177.584 -0.006 0.000 1.186 189 A CA 1.802 53.839 52.037 -0.001 0.000 0.624 189 A CB -0.546 18.448 19.000 -0.010 0.000 0.822 189 A HN 0.209 nan 8.150 nan 0.000 0.444 190 E N -0.522 119.674 120.200 -0.008 0.000 2.070 190 E HA -0.219 4.131 4.350 -0.000 0.000 0.197 190 E C 1.878 178.474 176.600 -0.006 0.000 1.004 190 E CA 1.340 57.731 56.400 -0.015 0.000 0.805 190 E CB -0.339 29.387 29.700 0.043 0.000 0.744 190 E HN 0.426 nan 8.360 nan 0.000 0.451 191 L N 0.344 121.572 121.223 0.009 0.000 1.955 191 L HA -0.226 4.114 4.340 -0.000 0.000 0.213 191 L C 2.304 179.179 176.870 0.008 0.000 1.072 191 L CA 1.502 56.348 54.840 0.011 0.000 0.755 191 L CB -1.051 41.016 42.059 0.014 0.000 0.888 191 L HN 0.143 nan 8.230 nan 0.000 0.432 192 L N -1.181 120.050 121.223 0.014 0.000 2.021 192 L HA -0.250 4.090 4.340 -0.000 0.000 0.215 192 L C 2.549 179.423 176.870 0.007 0.000 1.074 192 L CA 1.419 56.271 54.840 0.019 0.000 0.760 192 L CB -1.181 40.902 42.059 0.040 0.000 0.889 192 L HN 0.054 nan 8.230 nan 0.000 0.433 193 V N -1.054 118.857 119.914 -0.005 0.000 2.287 193 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 193 V C 2.404 178.485 176.094 -0.022 0.000 1.053 193 V CA 1.502 63.789 62.300 -0.021 0.000 1.027 193 V CB -0.547 31.249 31.823 -0.045 0.000 0.646 193 V HN 0.305 nan 8.190 nan 0.000 0.447 194 L N 0.157 121.369 121.223 -0.018 0.000 2.046 194 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 194 L C 2.418 179.284 176.870 -0.006 0.000 1.077 194 L CA 2.153 56.985 54.840 -0.012 0.000 0.747 194 L CB -0.974 41.082 42.059 -0.004 0.000 0.896 194 L HN 0.397 nan 8.230 nan 0.000 0.432 195 K N -0.252 120.147 120.400 -0.002 0.000 1.984 195 K HA -0.159 4.161 4.320 -0.000 0.000 0.209 195 K C 2.135 178.734 176.600 -0.002 0.000 1.046 195 K CA 1.890 58.178 56.287 0.001 0.000 0.934 195 K CB -0.332 32.172 32.500 0.006 0.000 0.717 195 K HN 0.293 nan 8.250 nan 0.000 0.438 196 I N 1.594 122.162 120.570 -0.003 0.000 2.335 196 I HA -0.293 3.877 4.170 -0.000 0.000 0.251 196 I C 2.318 178.427 176.117 -0.014 0.000 1.129 196 I CA 0.973 62.269 61.300 -0.007 0.000 1.402 196 I CB -0.221 37.774 38.000 -0.008 0.000 1.069 196 I HN 0.246 nan 8.210 nan 0.000 0.424 197 L N 0.597 121.810 121.223 -0.015 0.000 1.994 197 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 197 L C 2.679 179.542 176.870 -0.012 0.000 1.071 197 L CA 1.511 56.341 54.840 -0.017 0.000 0.745 197 L CB -0.565 41.482 42.059 -0.019 0.000 0.892 197 L HN 0.214 nan 8.230 nan 0.000 0.431 198 K N -0.036 120.359 120.400 -0.008 0.000 2.034 198 K HA -0.293 4.027 4.320 -0.000 0.000 0.214 198 K C 2.087 178.683 176.600 -0.006 0.000 1.051 198 K CA 1.987 58.271 56.287 -0.006 0.000 0.931 198 K CB -0.109 32.389 32.500 -0.003 0.000 0.715 198 K HN 0.334 nan 8.250 nan 0.000 0.446 199 Q N -0.010 119.787 119.800 -0.006 0.000 1.956 199 Q HA -0.182 4.158 4.340 -0.000 0.000 0.208 199 Q C 2.137 178.132 176.000 -0.009 0.000 0.998 199 Q CA 2.324 58.123 55.803 -0.007 0.000 0.855 199 Q CB -0.416 28.318 28.738 -0.007 0.000 0.928 199 Q HN 0.472 nan 8.270 nan 0.000 0.418 200 V N -1.904 118.003 119.914 -0.012 0.000 3.305 200 V HA 0.017 4.137 4.120 -0.000 0.000 0.269 200 V C 1.000 177.087 176.094 -0.011 0.000 1.157 200 V CA 0.535 62.827 62.300 -0.013 0.000 1.157 200 V CB -0.559 31.253 31.823 -0.019 0.000 0.772 200 V HN 0.178 nan 8.190 nan 0.000 0.498 201 M N 1.702 121.296 119.600 -0.010 0.000 2.162 201 M HA 0.338 4.818 4.480 -0.000 0.000 0.356 201 M C 0.499 176.796 176.300 -0.006 0.000 1.303 201 M CA -0.068 55.228 55.300 -0.008 0.000 1.116 201 M CB 0.853 33.448 32.600 -0.007 0.000 1.632 201 M HN 0.295 nan 8.290 nan 0.000 0.469 206 K N 2.106 122.506 120.400 -0.000 0.000 2.349 206 K HA 0.202 4.522 4.320 -0.000 0.000 0.289 206 K C 0.225 176.826 176.600 0.000 0.000 1.064 206 K CA -0.229 56.057 56.287 -0.000 0.000 0.947 206 K CB 0.226 32.726 32.500 0.000 0.000 1.007 206 K HN 0.540 nan 8.250 nan 0.000 0.478 207 L N 5.671 126.894 121.223 -0.000 0.000 2.559 207 L HA -0.077 4.263 4.340 -0.000 0.000 0.274 207 L C 0.357 177.229 176.870 0.002 0.000 1.205 207 L CA 0.758 55.598 54.840 0.000 0.000 0.907 207 L CB 0.331 42.389 42.059 -0.001 0.000 1.153 207 L HN 0.941 nan 8.230 nan 0.000 0.490 208 D N 1.953 122.355 120.400 0.004 0.000 2.119 208 D HA -0.059 4.581 4.640 -0.000 0.000 0.311 208 D C 0.805 177.110 176.300 0.009 0.000 1.155 208 D CA 0.642 54.646 54.000 0.006 0.000 1.036 208 D CB -0.415 40.388 40.800 0.005 0.000 1.855 208 D HN 0.693 nan 8.370 nan 0.000 0.523 209 N N 1.621 120.325 118.700 0.007 0.000 2.853 209 N HA -0.214 4.526 4.740 -0.000 0.000 0.239 209 N C -0.191 175.321 175.510 0.003 0.000 0.967 209 N CA 1.755 54.808 53.050 0.005 0.000 0.973 209 N CB -1.955 36.534 38.487 0.004 0.000 1.104 209 N HN 0.722 nan 8.380 nan 0.000 0.602 210 A N -0.476 122.345 122.820 0.002 0.000 2.365 210 A HA 0.732 5.052 4.320 -0.000 0.000 0.318 210 A C -0.696 176.886 177.584 -0.003 0.000 1.091 210 A CA -0.367 51.668 52.037 -0.004 0.000 0.763 210 A CB 1.593 20.590 19.000 -0.006 0.000 1.248 210 A HN 0.378 nan 8.150 nan 0.000 0.442 211 Q N 1.976 121.768 119.800 -0.013 0.000 2.323 211 Q HA 0.679 5.019 4.340 -0.000 0.000 0.271 211 Q C -1.872 174.090 176.000 -0.063 0.000 1.048 211 Q CA -0.464 55.328 55.803 -0.018 0.000 0.792 211 Q CB 1.586 30.323 28.738 -0.001 0.000 1.280 211 Q HN 0.781 nan 8.270 nan 0.000 0.441 212 L N 1.936 123.093 121.223 -0.109 0.000 2.322 212 L HA 0.738 5.078 4.340 -0.000 0.000 0.269 212 L C -0.509 176.070 176.870 -0.485 0.000 1.012 212 L CA -0.570 54.092 54.840 -0.297 0.000 0.815 212 L CB 2.113 43.955 42.059 -0.362 0.000 1.295 212 L HN 0.854 nan 8.230 nan 0.000 0.438 213 S N 0.241 115.527 115.700 -0.689 0.000 2.567 213 S HA 0.719 5.189 4.470 -0.000 0.000 0.270 213 S C -0.950 173.298 174.600 -0.586 0.000 1.152 213 S CA -0.941 56.866 58.200 -0.654 0.000 0.835 213 S CB 1.529 64.485 63.200 -0.408 0.000 1.115 213 S HN 0.925 nan 8.310 nan 0.000 0.459 214 C N 0.163 119.259 119.300 -0.340 0.000 3.291 214 C HA 0.958 5.418 4.460 -0.000 0.000 0.316 214 C C -1.165 173.818 174.990 -0.012 0.000 1.391 214 C CA -0.795 58.159 59.018 -0.106 0.000 1.394 214 C CB 0.107 27.877 27.740 0.049 0.000 1.744 214 C HN 1.608 nan 8.230 nan 0.000 0.461 215 I N 0.871 121.510 120.570 0.116 0.000 2.534 215 I HA 0.851 5.021 4.170 -0.000 0.000 0.288 215 I C -0.290 175.983 176.117 0.261 0.000 1.077 215 I CA -0.203 61.238 61.300 0.235 0.000 1.051 215 I CB 2.199 40.432 38.000 0.388 0.000 1.234 215 I HN 1.125 nan 8.210 nan 0.000 0.425 216 T N 1.624 116.330 114.554 0.254 0.000 2.903 216 T HA 0.421 4.771 4.350 -0.000 0.000 0.299 216 T C 0.545 175.356 174.700 0.184 0.000 1.093 216 T CA -0.769 61.513 62.100 0.304 0.000 1.002 216 T CB 1.939 70.889 68.868 0.138 0.000 1.127 216 T HN 0.877 nan 8.240 nan 0.000 0.488 217 K N 0.389 120.815 120.400 0.044 0.000 2.032 217 K HA -0.220 4.100 4.320 -0.000 0.000 0.209 217 K C 2.140 178.728 176.600 -0.019 0.000 1.048 217 K CA 1.733 57.908 56.287 -0.187 0.000 0.927 217 K CB -0.146 32.131 32.500 -0.371 0.000 0.712 217 K HN 0.756 nan 8.250 nan 0.000 0.441 218 Q N -0.021 119.792 119.800 0.021 0.000 2.020 218 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 218 Q C 0.555 176.579 176.000 0.041 0.000 0.982 218 Q CA 2.203 58.024 55.803 0.029 0.000 0.838 218 Q CB 0.183 28.938 28.738 0.028 0.000 0.899 218 Q HN 0.328 nan 8.270 nan 0.000 0.423 219 D N -1.371 119.061 120.400 0.054 0.000 2.441 219 D HA 0.245 4.885 4.640 -0.000 0.000 0.210 219 D C 0.211 176.565 176.300 0.089 0.000 1.102 219 D CA 0.801 54.835 54.000 0.056 0.000 0.840 219 D CB 1.038 41.857 40.800 0.032 0.000 0.990 219 D HN 0.469 nan 8.370 nan 0.000 0.505 220 G N 1.110 109.985 108.800 0.124 0.000 2.698 220 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.233 220 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.233 220 G C -0.328 174.703 174.900 0.218 0.000 1.352 220 G CA -0.621 44.592 45.100 0.188 0.000 0.879 220 G HN 0.239 nan 8.290 nan 0.000 0.567 221 F N 1.871 121.888 119.950 0.112 0.000 2.519 221 F HA 0.507 5.034 4.527 -0.000 0.000 0.375 221 F C 0.622 176.483 175.800 0.102 0.000 1.084 221 F CA 0.069 58.130 58.000 0.102 0.000 1.147 221 F CB 0.358 39.406 39.000 0.078 0.000 1.088 221 F HN 0.222 nan 8.300 nan 0.000 0.555 222 K N 8.362 128.526 120.400 -0.393 0.000 2.413 222 K HA 0.382 4.702 4.320 -0.000 0.000 0.257 222 K C -0.580 175.812 176.600 -0.346 0.000 0.946 222 K CA -0.514 55.621 56.287 -0.253 0.000 0.823 222 K CB 2.042 34.513 32.500 -0.049 0.000 1.109 222 K HN 0.647 nan 8.250 nan 0.000 0.427 223 I N 4.399 124.809 120.570 -0.266 0.000 2.337 223 I HA 0.139 4.309 4.170 -0.000 0.000 0.291 223 I C 0.231 176.409 176.117 0.103 0.000 1.046 223 I CA -0.636 60.586 61.300 -0.130 0.000 1.324 223 I CB 0.230 38.206 38.000 -0.040 0.000 1.409 223 I HN 0.403 nan 8.210 nan 0.000 0.494 224 Y N 5.525 125.744 120.300 -0.135 0.000 2.717 224 Y HA -0.074 4.476 4.550 -0.000 0.000 0.330 224 Y C 1.047 176.916 175.900 -0.052 0.000 1.217 224 Y CA -1.018 57.032 58.100 -0.084 0.000 1.506 224 Y CB 0.286 38.703 38.460 -0.071 0.000 1.268 224 Y HN 0.561 nan 8.280 nan 0.000 0.561 225 D N 2.626 123.061 120.400 0.059 0.000 2.341 225 D HA -0.020 4.620 4.640 -0.000 0.000 0.245 225 D C 0.141 176.463 176.300 0.038 0.000 1.106 225 D CA -0.300 53.718 54.000 0.030 0.000 0.905 225 D CB 0.802 41.599 40.800 -0.006 0.000 1.202 225 D HN 0.667 nan 8.370 nan 0.000 0.426 226 N N 0.802 119.522 118.700 0.032 0.000 2.089 226 N HA -0.271 4.469 4.740 -0.000 0.000 0.198 226 N C 1.073 176.596 175.510 0.022 0.000 1.017 226 N CA 1.720 54.788 53.050 0.029 0.000 0.880 226 N CB -0.029 38.470 38.487 0.020 0.000 1.042 226 N HN 0.494 nan 8.380 nan 0.000 0.446 227 E N 0.851 121.056 120.200 0.009 0.000 2.077 227 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 227 E C 1.788 178.385 176.600 -0.004 0.000 0.989 227 E CA 0.955 57.355 56.400 -0.000 0.000 0.800 227 E CB -0.048 29.646 29.700 -0.010 0.000 0.746 227 E HN 0.298 nan 8.360 nan 0.000 0.452 228 K N -0.038 120.353 120.400 -0.015 0.000 2.026 228 K HA -0.114 4.206 4.320 -0.000 0.000 0.208 228 K C 1.940 178.559 176.600 0.030 0.000 1.048 228 K CA 1.679 57.946 56.287 -0.034 0.000 0.929 228 K CB -0.115 32.307 32.500 -0.130 0.000 0.713 228 K HN 0.094 nan 8.250 nan 0.000 0.439 229 T N 0.860 115.462 114.554 0.080 0.000 2.746 229 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 229 T C 1.850 176.582 174.700 0.054 0.000 1.039 229 T CA 1.255 63.418 62.100 0.104 0.000 1.142 229 T CB -0.295 68.632 68.868 0.098 0.000 0.866 229 T HN 0.403 nan 8.240 nan 0.000 0.444 230 A N 1.737 124.578 122.820 0.034 0.000 1.883 230 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 230 A C 2.196 179.790 177.584 0.017 0.000 1.186 230 A CA 1.830 53.879 52.037 0.021 0.000 0.624 230 A CB -0.665 18.343 19.000 0.013 0.000 0.822 230 A HN 0.572 nan 8.150 nan 0.000 0.444 231 E N -0.416 119.792 120.200 0.013 0.000 2.130 231 E HA -0.199 4.151 4.350 -0.000 0.000 0.196 231 E C 1.953 178.562 176.600 0.015 0.000 0.998 231 E CA 1.307 57.712 56.400 0.008 0.000 0.806 231 E CB -0.303 29.396 29.700 -0.002 0.000 0.738 231 E HN 0.658 nan 8.360 nan 0.000 0.459 232 L N 0.748 121.987 121.223 0.028 0.000 2.072 232 L HA -0.061 4.279 4.340 -0.000 0.000 0.205 232 L C 1.657 178.541 176.870 0.025 0.000 1.079 232 L CA 0.294 55.155 54.840 0.034 0.000 0.752 232 L CB -0.203 41.894 42.059 0.064 0.000 0.906 232 L HN 0.085 nan 8.230 nan 0.000 0.436 236 E N 1.463 121.668 120.200 0.008 0.000 2.267 236 E HA -0.136 4.214 4.350 -0.000 0.000 0.197 236 E C 1.686 178.291 176.600 0.007 0.000 0.998 236 E CA 0.986 57.390 56.400 0.007 0.000 0.830 236 E CB 0.157 29.863 29.700 0.009 0.000 0.751 236 E HN 0.389 nan 8.360 nan 0.000 0.491 237 L N 0.327 121.555 121.223 0.008 0.000 2.102 237 L HA -0.107 4.233 4.340 -0.000 0.000 0.202 237 L C 2.540 179.413 176.870 0.005 0.000 1.076 237 L CA 1.275 56.120 54.840 0.007 0.000 0.761 237 L CB -0.281 41.782 42.059 0.008 0.000 0.921 237 L HN 0.071 nan 8.230 nan 0.000 0.444 238 K N 0.398 120.800 120.400 0.004 0.000 2.127 238 K HA -0.254 4.065 4.320 -0.000 0.000 0.208 238 K C 1.761 178.362 176.600 0.002 0.000 1.047 238 K CA 1.891 58.180 56.287 0.003 0.000 0.927 238 K CB 0.028 32.530 32.500 0.003 0.000 0.716 238 K HN 0.387 nan 8.250 nan 0.000 0.450 239 E N -0.119 120.082 120.200 0.002 0.000 2.076 239 E HA -0.151 4.199 4.350 -0.000 0.000 0.190 239 E C 1.936 178.537 176.600 0.001 0.000 0.979 239 E CA 0.923 57.324 56.400 0.001 0.000 0.807 239 E CB -0.004 29.696 29.700 0.001 0.000 0.761 239 E HN 0.285 nan 8.360 nan 0.000 0.454 240 K N 1.235 121.636 120.400 0.002 0.000 2.097 240 K HA -0.182 4.138 4.320 -0.000 0.000 0.206 240 K C 1.795 178.396 176.600 0.001 0.000 1.049 240 K CA 1.300 57.588 56.287 0.002 0.000 0.933 240 K CB 0.149 32.651 32.500 0.004 0.000 0.717 240 K HN 0.064 nan 8.250 nan 0.000 0.442 241 E N -0.211 119.990 120.200 0.002 0.000 2.112 241 E HA -0.059 4.291 4.350 -0.000 0.000 0.190 241 E C 1.081 177.681 176.600 0.000 0.000 0.979 241 E CA 0.614 57.014 56.400 0.001 0.000 0.814 241 E CB 0.079 29.780 29.700 0.002 0.000 0.762 241 E HN 0.325 nan 8.360 nan 0.000 0.460 242 A N 0.620 123.440 122.820 0.000 0.000 2.233 242 A HA 0.294 4.613 4.320 -0.000 0.000 0.230 242 A C 0.977 178.560 177.584 -0.001 0.000 1.347 242 A CA 0.784 52.821 52.037 -0.000 0.000 1.087 242 A CB -0.504 18.495 19.000 -0.000 0.000 0.871 242 A HN 0.258 nan 8.150 nan 0.000 0.519 243 A N -0.914 121.905 122.820 -0.002 0.000 1.857 243 A HA 0.683 5.003 4.320 -0.000 0.000 0.192 243 A C 0.458 178.040 177.584 -0.003 0.000 2.203 243 A CA 0.087 52.122 52.037 -0.002 0.000 1.377 243 A CB 0.644 19.643 19.000 -0.003 0.000 0.976 243 A HN 0.292 nan 8.150 nan 0.000 0.594 244 E N 0.000 120.198 120.200 -0.003 0.000 2.725 244 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 244 E CA 0.000 56.398 56.400 -0.004 0.000 0.976 244 E CB 0.000 29.697 29.700 -0.005 0.000 0.812 244 E HN 0.000 nan 8.360 nan 0.000 0.440